3-methylpentan-3-yl 2-(6-hydroxynaphthalen-2-yl)acetate

C18H22O3 — CID 143448476

IUPAC3-methylpentan-3-yl 2-(6-hydroxynaphthalen-2-yl)acetate
SMILESCCC(C)(CC)OC(=O)Cc1ccc2cc(O)ccc2c1
InChIInChI=1S/C18H22O3/c1-4-18(3,5-2)21-17(20)11-13-6-7-15-12-16(19)9-8-14(15)10-13/h6-10,12,19H,4-5,11H2,1-3H3
InChIKeyOASZXUJBVFIUKB-UHFFFAOYSA-N
MW286.37 g/mol
LogP4.21
Rot. Bonds5

About 3-methylpentan-3-yl 2-(6-hydroxynaphthalen-2-yl)acetate

3-methylpentan-3-yl 2-(6-hydroxynaphthalen-2-yl)acetate (PubChem CID 143448476) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-methylpentan-3-yl 2-(6-hydroxynaphthalen-2-yl)acetate.

Molecular Properties

Compound Name3-methylpentan-3-yl 2-(6-hydroxynaphthalen-2-yl)acetate
PubChem CID143448476
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name3-methylpentan-3-yl 2-(6-hydroxynaphthalen-2-yl)acetate
SMILESCCC(C)(CC)OC(=O)Cc1ccc2cc(O)ccc2c1
InChIInChI=1S/C18H22O3/c1-4-18(3,5-2)21-17(20)11-13-6-7-15-12-16(19)9-8-14(15)10-13/h6-10,12,19H,4-5,11H2,1-3H3
InChIKeyOASZXUJBVFIUKB-UHFFFAOYSA-N
XLogP4.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methylpentan-3-yl 2-(6-hydroxynaphthalen-2-yl)acetate?
The IUPAC name of 3-methylpentan-3-yl 2-(6-hydroxynaphthalen-2-yl)acetate (CID 143448476) is 3-methylpentan-3-yl 2-(6-hydroxynaphthalen-2-yl)acetate.
What is the SMILES notation for 3-methylpentan-3-yl 2-(6-hydroxynaphthalen-2-yl)acetate?
The canonical SMILES for 3-methylpentan-3-yl 2-(6-hydroxynaphthalen-2-yl)acetate is CCC(C)(CC)OC(=O)Cc1ccc2cc(O)ccc2c1.
What is the InChIKey of 3-methylpentan-3-yl 2-(6-hydroxynaphthalen-2-yl)acetate?
The InChIKey is OASZXUJBVFIUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-4-18(3,5-2)21-17(20)11-13-6-7-15-12-16(19)9-8-14(15)10-13/h6-10,12,19H,4-5,11H2,1-3H3.
What are the key properties of 3-methylpentan-3-yl 2-(6-hydroxynaphthalen-2-yl)acetate?
3-methylpentan-3-yl 2-(6-hydroxynaphthalen-2-yl)acetate has a molecular weight of 286.37 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpentan-3-yl 2-(6-hydroxynaphthalen-2-yl)acetate is sourced from PubChem (CID 143448476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).